HRID2347837

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID34319

1-(1H-Indol-3-yl)-2-(methylamino)ethan-1-ol

C11H14N2O

HCID81531

Diisopropylethylamine

C8H19N

结构：Cn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2sc(CCl)cc21

HCID22563229

未命名化合物

PRODUCTS

生成物

结构：CN(Cc1cc2c(s1)c(=O)c(C(=O)NCc1ccc(Cl)cc1)cn2C)CC(O)c1c[nH]c2ccccc12

HCID10311734

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e19e23ad7c0b417bb0aafaa09d7eae27
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH:39]([N:40]([CH:41]([CH3:42])[CH3:43])[CH2:44][CH3:45])([CH3:46])[CH3:47].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][NH:7][C:8](=[O:9])[c:10]2[c:11](=[O:22])[c:12]3[c:13]([n:14]([CH3:16])[cH:15]2)[cH:17][c:18]([CH2:20][Cl:21])[s:19]3)[cH:23][cH:24]1.[O:48]=[CH:49][N:50]([CH3:51])[CH3:52].[OH2:53].[nH:25]1[cH:26][c:27]([CH:34]([CH2:35][NH:36][CH3:37])[OH:38])[c:28]2[cH:29][cH:30][cH:31][cH:32][c:33]12>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][NH:7][C:8](=[O:9])[c:10]2[c:11](=[O:22])[c:12]3[c:13]([n:14]([CH3:16])[cH:15]2)[cH:17][c:18]([CH2:20][N:36]([CH2:35][CH:34]([c:27]2[cH:26][nH:25][c:33]4[c:28]2[cH:29][cH:30][cH:31][cH:32]4)[OH:38])[CH3:37])[s:19]3)[cH:23][cH:24]1